[3-bromanyl-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(3-methoxypropyl)azanium

Systemtic Name: [3-bromanyl-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(3-methoxypropyl)azanium Openeye Name: [3-bromo-5-ethoxy-4-(p-tolylmethoxy)phenyl]methyl-(3-methoxypropyl)ammonium CAS Name: [3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(3-methoxypropyl)ammonium IUPAC Name: [3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(3-methoxypropyl)azanium Traditional Name: [3-bromo-5-ethoxy-4-(4-methylbenzyl)oxy-benzyl]-(3-methoxypropyl)ammonium Formula: C21H29BrNO3+ MolecularWeight: 423.36386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CCCOC)Br)OCC2=CC=C(C=C2)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CCCOC)Br)OCC2=CC=C(C=C2)C

InChI

InChI=1S/C21H28BrNO3/c1-4-25-20-13-18(14-23-10-5-11-24-3)12-19(22)21(20)26-15-17-8-6-16(2)7-9-17/h6-9,12-13,23H,4-5,10-11,14-15H2,1-3H3/p+1